5-[1-amino-3-(2,2-difluoroethoxy)propyl]-6-chloro-1,3-dihydroindol-2-one

C13H15ClF2N2O2 — CID 103207166

IUPAC5-[1-amino-3-(2,2-difluoroethoxy)propyl]-6-chloro-1,3-dihydroindol-2-one
SMILESNC(CCOCC(F)F)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C13H15ClF2N2O2/c14-9-5-11-7(4-13(19)18-11)3-8(9)10(17)1-2-20-6-12(15)16/h3,5,10,12H,1-2,4,6,17H2,(H,18,19)
InChIKeyBQUZDXLOQBLSHH-UHFFFAOYSA-N
MW304.72 g/mol
LogP2.51
Rot. Bonds6

About 5-[1-amino-3-(2,2-difluoroethoxy)propyl]-6-chloro-1,3-dihydroindol-2-one

5-[1-amino-3-(2,2-difluoroethoxy)propyl]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 103207166) has the molecular formula C13H15ClF2N2O2 and a molecular weight of 304.72 g/mol. Its IUPAC name is 5-[1-amino-3-(2,2-difluoroethoxy)propyl]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[1-amino-3-(2,2-difluoroethoxy)propyl]-6-chloro-1,3-dihydroindol-2-one
PubChem CID103207166
Molecular FormulaC13H15ClF2N2O2
Molecular Weight304.72 g/mol
Exact Mass304.08
IUPAC Name5-[1-amino-3-(2,2-difluoroethoxy)propyl]-6-chloro-1,3-dihydroindol-2-one
SMILESNC(CCOCC(F)F)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C13H15ClF2N2O2/c14-9-5-11-7(4-13(19)18-11)3-8(9)10(17)1-2-20-6-12(15)16/h3,5,10,12H,1-2,4,6,17H2,(H,18,19)
InChIKeyBQUZDXLOQBLSHH-UHFFFAOYSA-N
XLogP2.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.72
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[1-amino-3-(2,2-difluoroethoxy)propyl]-6-chloro-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-amino-3-(2,2-difluoroethoxy)propyl]-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[1-amino-3-(2,2-difluoroethoxy)propyl]-6-chloro-1,3-dihydroindol-2-one (CID 103207166) is 5-[1-amino-3-(2,2-difluoroethoxy)propyl]-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[1-amino-3-(2,2-difluoroethoxy)propyl]-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[1-amino-3-(2,2-difluoroethoxy)propyl]-6-chloro-1,3-dihydroindol-2-one is NC(CCOCC(F)F)c1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 5-[1-amino-3-(2,2-difluoroethoxy)propyl]-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is BQUZDXLOQBLSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF2N2O2/c14-9-5-11-7(4-13(19)18-11)3-8(9)10(17)1-2-20-6-12(15)16/h3,5,10,12H,1-2,4,6,17H2,(H,18,19).
What are the key properties of 5-[1-amino-3-(2,2-difluoroethoxy)propyl]-6-chloro-1,3-dihydroindol-2-one?
5-[1-amino-3-(2,2-difluoroethoxy)propyl]-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 304.72 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-amino-3-(2,2-difluoroethoxy)propyl]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 103207166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).